SCHEMBL4068668

SCHEMBL4068668

CC(C)c1c(C(N)=O)cccc1-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.62
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
HNF4A P41235 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
FGFR1 P11362 1/20 0.42
SRC P12931 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR4 P22455 1/20 0.42
FGFR3 P22607 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
PARP1 P09874 1/20 0.42
IKBKB O14920 1/20 0.41
MYC P01106 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31018830 0.86 HNF4A (0.58) BCAT2HNF4AMEN1KMT2ASMN1; SMN2
SCHEMBL4560226 0.86 BCAT2 (0.57) BCAT2KEAP1NFE2L2HNF4AMEN1
SCHEMBL530128 0.84 BCAT2 (0.56) BCAT2KEAP1NFE2L2HNF4AMEN1
SCHEMBL1348054 0.84 BCAT2 (0.46) BCAT2HNF4AMEN1KMT2ASMN1; SMN2
SCHEMBL4301679 0.82 BCAT2 (0.57) BCAT2KEAP1NFE2L2HNF4AMEN1
SCHEMBL2977145 0.82 IRAK4 (0.50) BCAT2KEAP1NFE2L2IRAK4NPC1
SCHEMBL1832020 0.79 IRAK4 (0.44) BCAT2KEAP1NFE2L2IRAK4NPC1
Alanine SCHEMBL8916288 0.78 BCAT2 (0.76) BCAT2KEAP1NFE2L2HNF4AMEN1
SCHEMBL16149659 0.78 BCAT2 (0.91) BCAT2KEAP1NFE2L2HNF4AMEN1
SCHEMBL29427545 0.78 BCAT2 (1.00) BCAT2KEAP1NFE2L2HNF4AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049118-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SmithKline Beecham Corporation (US) 2009-04-22 EP claimed
WO-2008011551-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-24 WO claimed
WO-2021078293-A1 3-N-CYCLOPROPYLMETHYL-2-FLUOROBENZAMIDE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 南通泰禾化工股份有限公司 2021-04-29 WO disclosed
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMECUTICAL CO., LTD. (JP) 2009-02-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF GPR119, HCRTR2, MCHR1 BCAT2 128/4885KEAP1 1063/4885NFE2L2 1515/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.